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- PDB-5y3d: Structural insight into the interaction between RNA polymerase an... -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 5y3d
TitleStructural insight into the interaction between RNA polymerase and VPg for norovirus replication
Components
  • RNA-dependent RNA polymerase
  • viral protein genome-linked (VPg)
KeywordsVIRAL PROTEIN / norovirus / RNA-dependent RNA polymerase / VPg / interaction / viral replication
Function / homology
Function and homology information


calicivirin / ribonucleoside triphosphate phosphatase activity / nucleoside-triphosphate phosphatase / RNA helicase activity / RNA-directed RNA polymerase / viral RNA genome replication / cysteine-type endopeptidase activity / RNA-dependent RNA polymerase activity / DNA-templated transcription / proteolysis ...calicivirin / ribonucleoside triphosphate phosphatase activity / nucleoside-triphosphate phosphatase / RNA helicase activity / RNA-directed RNA polymerase / viral RNA genome replication / cysteine-type endopeptidase activity / RNA-dependent RNA polymerase activity / DNA-templated transcription / proteolysis / RNA binding / ATP binding / metal ion binding
Similarity search - Function
Single alpha-helices involved in coiled-coils or other helix-helix interfaces - #3230 / Viral polyprotein, Caliciviridae N-terminal / Viral polyprotein N-terminal / Norovirus 3C-like protease (NV 3CLpro) domain profile. / Norovirus peptidase C37 / Southampton virus-type processing peptidase / Mitochondrial Import Receptor Subunit Tom20; Chain A - #20 / Mitochondrial Import Receptor Subunit Tom20; Chain A / Single alpha-helices involved in coiled-coils or other helix-helix interfaces / Reverse transcriptase/Diguanylate cyclase domain ...Single alpha-helices involved in coiled-coils or other helix-helix interfaces - #3230 / Viral polyprotein, Caliciviridae N-terminal / Viral polyprotein N-terminal / Norovirus 3C-like protease (NV 3CLpro) domain profile. / Norovirus peptidase C37 / Southampton virus-type processing peptidase / Mitochondrial Import Receptor Subunit Tom20; Chain A - #20 / Mitochondrial Import Receptor Subunit Tom20; Chain A / Single alpha-helices involved in coiled-coils or other helix-helix interfaces / Reverse transcriptase/Diguanylate cyclase domain / Helicase, superfamily 3, single-stranded RNA virus / Superfamily 3 helicase of positive ssRNA viruses domain profile. / Helicase, superfamily 3, single-stranded DNA/RNA virus / RNA helicase / Helix non-globular / Special / RNA-directed RNA polymerase, C-terminal domain / Viral RNA-dependent RNA polymerase / Reverse transcriptase/Diguanylate cyclase domain / Alpha-Beta Plaits / RNA-directed RNA polymerase, catalytic domain / RdRp of positive ssRNA viruses catalytic domain profile. / Peptidase S1, PA clan, chymotrypsin-like fold / Peptidase S1, PA clan / DNA/RNA polymerase superfamily / Up-down Bundle / P-loop containing nucleoside triphosphate hydrolase / 2-Layer Sandwich / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
Biological speciesMurine norovirus 1
Murine norovirus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.14 Å
AuthorsKim, K.H. / Lee, J.-H. / Seok, J.H.
Funding support Korea, Republic Of, 1items
OrganizationGrant numberCountry
National Research FoundationNRF-2013R1A1A2064940 Korea, Republic Of
CitationJournal: Front Microbiol / Year: 2018
Title: Insight Into the Interaction Between RNA Polymerase and VPg for Murine Norovirus Replication.
Authors: Lee, J.H. / Park, B.S. / Han, K.R. / Biering, S.B. / Kim, S.J. / Choi, J. / Seok, J.H. / Alam, I. / Chung, M.S. / Kim, H.M. / Hwang, S. / Kim, K.H.
History
DepositionJul 28, 2017Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Jul 18, 2018Provider: repository / Type: Initial release
Revision 1.1Aug 8, 2018Group: Data collection / Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Sep 19, 2018Group: Data collection / Database references / Category: pdbx_related_exp_data_set
Revision 1.3Nov 22, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: RNA-dependent RNA polymerase
B: RNA-dependent RNA polymerase
C: RNA-dependent RNA polymerase
D: RNA-dependent RNA polymerase
E: RNA-dependent RNA polymerase
F: RNA-dependent RNA polymerase
G: viral protein genome-linked (VPg)
H: viral protein genome-linked (VPg)


Theoretical massNumber of molelcules
Total (without water)357,1118
Polymers357,1118
Non-polymers00
Water32418
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)109.172, 159.729, 121.704
Angle α, β, γ (deg.)90.000, 97.240, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain G and (resid 22 through 36 or resid 40 through 56))
21chain H
12(chain A and (resid 8 through 124 or resid 126...
22(chain B and (resid 8 through 124 or resid 126...
32(chain C and (resid 8 through 124 or resid 126...
42(chain D and (resid 8 through 124 or resid 126...
52(chain E and (resid 8 through 124 or resid 126...
62(chain F and (resid 8 through 124 or resid 126...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111UNKUNKUNKUNK(chain G and (resid 22 through 36 or resid 40 through 56))GG22 - 361 - 15
121UNKUNKUNKUNK(chain G and (resid 22 through 36 or resid 40 through 56))GG40 - 5619 - 35
211UNKUNKUNKUNKchain HHH22 - 561 - 35
112PROPROTYRTYR(chain A and (resid 8 through 124 or resid 126...AA8 - 1245 - 121
122TYRTYRPROPRO(chain A and (resid 8 through 124 or resid 126...AA126 - 434123 - 431
132SERSERSERSER(chain A and (resid 8 through 124 or resid 126...AA441438
142LEULEULYSLYS(chain A and (resid 8 through 124 or resid 126...AA443 - 467440 - 464
152ALAALAGLYGLY(chain A and (resid 8 through 124 or resid 126...AA469 - 473466 - 470
162VALVALGLYGLY(chain A and (resid 8 through 124 or resid 126...AA478 - 491475 - 488
212PROPROTYRTYR(chain B and (resid 8 through 124 or resid 126...BB8 - 1245 - 121
222TYRTYRPROPRO(chain B and (resid 8 through 124 or resid 126...BB126 - 434123 - 431
232SERSERSERSER(chain B and (resid 8 through 124 or resid 126...BB441438
242LEULEULYSLYS(chain B and (resid 8 through 124 or resid 126...BB443 - 467440 - 464
252ALAALAGLYGLY(chain B and (resid 8 through 124 or resid 126...BB469 - 473466 - 470
262VALVALGLYGLY(chain B and (resid 8 through 124 or resid 126...BB478 - 491475 - 488
312PROPROTYRTYR(chain C and (resid 8 through 124 or resid 126...CC8 - 1245 - 121
322TYRTYRPROPRO(chain C and (resid 8 through 124 or resid 126...CC126 - 434123 - 431
332SERSERSERSER(chain C and (resid 8 through 124 or resid 126...CC441438
342LEULEULYSLYS(chain C and (resid 8 through 124 or resid 126...CC443 - 467440 - 464
352ALAALAGLYGLY(chain C and (resid 8 through 124 or resid 126...CC469 - 473466 - 470
362VALVALVALVAL(chain C and (resid 8 through 124 or resid 126...CC477474
372PROPROGLYGLY(chain C and (resid 8 through 124 or resid 126...CC479 - 491476 - 488
412PROPROTYRTYR(chain D and (resid 8 through 124 or resid 126...DD8 - 1245 - 121
422TYRTYRPROPRO(chain D and (resid 8 through 124 or resid 126...DD126 - 434123 - 431
432SERSERSERSER(chain D and (resid 8 through 124 or resid 126...DD441438
442LEULEULYSLYS(chain D and (resid 8 through 124 or resid 126...DD443 - 467440 - 464
452ALAALAGLYGLY(chain D and (resid 8 through 124 or resid 126...DD469 - 473466 - 470
462VALVALGLYGLY(chain D and (resid 8 through 124 or resid 126...DD478 - 491475 - 488
512PROPROTYRTYR(chain E and (resid 8 through 124 or resid 126...EE8 - 1245 - 121
522TYRTYRPROPRO(chain E and (resid 8 through 124 or resid 126...EE126 - 434123 - 431
532SERSERSERSER(chain E and (resid 8 through 124 or resid 126...EE441438
542LEULEULYSLYS(chain E and (resid 8 through 124 or resid 126...EE443 - 467440 - 464
552ALAALAGLYGLY(chain E and (resid 8 through 124 or resid 126...EE469 - 473466 - 470
562VALVALGLYGLY(chain E and (resid 8 through 124 or resid 126...EE478 - 491475 - 488
612PROPROTYRTYR(chain F and (resid 8 through 124 or resid 126...FF8 - 1245 - 121
622TYRTYRPROPRO(chain F and (resid 8 through 124 or resid 126...FF126 - 434123 - 431
632SERSERSERSER(chain F and (resid 8 through 124 or resid 126...FF441438
642LEULEULYSLYS(chain F and (resid 8 through 124 or resid 126...FF443 - 467440 - 464
652ALAALAGLYGLY(chain F and (resid 8 through 124 or resid 126...FF469 - 473466 - 470
662VALVALVALVAL(chain F and (resid 8 through 124 or resid 126...FF477474
672PROPROGLYGLY(chain F and (resid 8 through 124 or resid 126...FF479 - 491476 - 488

NCS ensembles :
ID
1
2

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Components

#1: Protein
RNA-dependent RNA polymerase / / RdRp


Mass: 58519.539 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Murine norovirus 1 / Plasmid: pET22b / Production host: Escherichia coli (E. coli) / Strain (production host): DE3 / References: UniProt: Q80J95
#2: Protein/peptide viral protein genome-linked (VPg) /


Mass: 2996.685 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Murine norovirus / Plasmid: pET22b-VPg / Production host: Escherichia coli (E. coli) / Strain (production host): DE3
#3: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 18 / Source method: isolated from a natural source / Formula: H2O
Sequence detailsThe author knows the sequence of chains G/H but is unsure of the alignment. The sequence is ...The author knows the sequence of chains G/H but is unsure of the alignment. The sequence is MGKKGKNKKGRGRPGVFRTRGLTDEEYDEFKKRRESRGGKYSIDDYLADREREEELLERDEEEAIFGDGFGLKATRLEHHHHHH

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 3.18 Å3/Da / Density % sol: 61.28 %
Crystal growTemperature: 297.15 K / Method: evaporation / pH: 6.5 / Details: 0.1 M cacodylate (pH 6.5), 1.0 M sodium citrate / Temp details: Room temp.

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Data collection

DiffractionMean temperature: 100 K / Ambient temp details: 100
Diffraction sourceSource: SYNCHROTRON / Site: Photon Factory / Beamline: BL-17A / Wavelength: 0.987 Å
DetectorType: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Nov 25, 2011
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.987 Å / Relative weight: 1
ReflectionResolution: 3.14→50 Å / Num. obs: 69820 / % possible obs: 96.3 % / Redundancy: 3.6 % / Biso Wilson estimate: 54.51 Å2 / Net I/σ(I): 5.2

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Processing

Software
NameVersionClassification
PHENIX1.12_2829refinement
HKL-2000data collection
SCALEPACKdata scaling
PDB_EXTRACT3.22data extraction
HKL-2000data reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3QID

3qid


Resolution: 3.14→47.235 Å / SU ML: 0.34 / Cross valid method: FREE R-VALUE / σ(F): 1.37 / Phase error: 23 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2409 3518 5.06 %
Rwork0.2025 66042 -
obs0.2045 69560 96.3 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 164.32 Å2 / Biso mean: 54.55 Å2 / Biso min: 1.4 Å2
Refinement stepCycle: final / Resolution: 3.14→47.235 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms23143 0 0 18 23161
Biso mean---28.62 -
Num. residues----2946
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00423694
X-RAY DIFFRACTIONf_angle_d0.54532097
X-RAY DIFFRACTIONf_chiral_restr0.0393433
X-RAY DIFFRACTIONf_plane_restr0.0064191
X-RAY DIFFRACTIONf_dihedral_angle_d4.68814401
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11G180X-RAY DIFFRACTION7.894TORSIONAL
12H180X-RAY DIFFRACTION7.894TORSIONAL
21A13885X-RAY DIFFRACTION7.894TORSIONAL
22B13885X-RAY DIFFRACTION7.894TORSIONAL
23C13885X-RAY DIFFRACTION7.894TORSIONAL
24D13885X-RAY DIFFRACTION7.894TORSIONAL
25E13885X-RAY DIFFRACTION7.894TORSIONAL
26F13885X-RAY DIFFRACTION7.894TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 25

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.1401-3.18310.31021050.3162465257089
3.1831-3.22850.40291130.30222447256089
3.2285-3.27670.30461330.30022511264492
3.2767-3.32790.31641230.2832519264292
3.3279-3.38240.33211130.2732551266492
3.3824-3.44080.34331380.27052523266194
3.4408-3.50330.31731620.25522562272494
3.5033-3.57070.26311510.25552616276795
3.5707-3.64350.28881280.23982634276296
3.6435-3.72270.28391460.22842663280998
3.7227-3.80930.29031190.21292685280497
3.8093-3.90450.24081430.20542655279897
3.9045-4.010.23781500.1952641279197
4.01-4.12790.22221380.18292692283098
4.1279-4.26110.22891270.16972688281598
4.2611-4.41330.2411420.17772714285699
4.4133-4.58980.2161440.15942686283098
4.5898-4.79850.19181580.15812698285698
4.7985-5.05130.18271260.15312716284299
5.0513-5.36730.20351720.16372700287299
5.3673-5.78110.22781690.19192691286099
5.7811-6.36160.22331430.18722736287999
6.3616-7.27920.23021500.17732742289299
7.2792-9.16010.18231540.15827492903100
9.1601-47.24080.19691710.18522758292999
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
11.8495-0.11370.2241.91030.30530.08590.03020.0639-0.0358-0.21720.1097-0.423-0.14750.1847-0.12740.2887-0.03490.02320.2136-0.03630.2688-7.06714.1985264.7642
21.2599-0.228-0.11261.30370.04891.3787-0.0512-0.0115-0.04730.0090.13360.03660.07070.0974-0.08890.1842-0.00690.04040.1196-0.03090.2102-18.12447.5265274.7522
31.2249-0.9627-0.50411.77890.20640.16870.1583-0.22470.58260.09360.1488-0.9807-0.11010.0887-0.13080.2414-0.04560.00840.2779-0.0808-0.0561-13.661519.8856277.6371
40.8017-0.7012-0.14262.8061.1321.22170.11190.02950.1454-0.2912-0.0301-0.1342-0.17010.0136-0.07210.207-0.01430.03830.1942-0.00330.2025-23.969621.3912259.6219
54.3594-2.2056-2.51413.12222.00335.27210.28780.954-0.8508-0.3252-0.24121.2650.3582-0.46070.12290.39760.0618-0.17210.4604-0.12770.719-34.45692.6749246.8324
60.1868-0.05740.5411.46250.85253.4955-0.0317-0.2121-0.15850.491-0.44010.40740.0301-0.9339-0.79840.3937-0.0188-0.01970.23580.30480.0626-81.634415.5699282.9081
71.71720.5242-1.0221.0893-0.98051.359-0.08510.2099-0.15780.0119-0.0301-0.11650.0289-0.15550.10220.2201-0.0638-0.04510.21-0.06190.1073-70.41053.4163263.5776
80.025-0.5043-0.4814.15743.60314.8331-0.2409-0.0926-0.0924-0.34350.18940.4154-0.22810.2552-0.01030.05910.01450.06790.31050.03570.3091-77.781812.6848272.6894
92.7642.65911.15622.7370.82090.56640.0883-0.2901-0.3188-0.0183-0.262-0.32460.07360.06050.07130.31530.06040.07970.12680.03930.2553-54.95912.5087263.9429
101.9320.5461-0.35731.3157-0.26470.9758-0.12790.07810.2711-0.25750.5165-0.05220.067-0.0613-0.26630.1833-0.0301-0.0580.31460.01470.2059-73.355810.1669258.44
114.6073-0.2410.34233.5323-0.73563.4758-0.09330.10.98290.14660.15130.039-0.3813-0.0869-0.09590.20260.0311-0.04870.17010.03750.2773-60.992827.561257.6413
124.24112.343-2.83511.6999-1.51753.36150.26880.2954-0.13930.3576-0.0157-0.1774-0.2923-0.2834-0.21470.25910.04280.02870.2412-0.04190.2847-58.668219.9712284.7682
136.7034-1.2612-2.93022.8211.54983.4696-0.3587-1.1450.16410.92610.129-0.68840.69520.44340.31670.43330.1208-0.0310.48060.1790.5432-49.114218.9311293.8247
144.01842.0228-0.4083.4478-1.16641.69630.2848-0.286-0.79-0.3764-0.3935-0.72640.19730.4363-0.00750.22950.11860.05620.2654-0.02070.27115.184145.0878298.5691
151.51540.14960.15982.0057-0.47681.6287-0.0112-0.0335-0.01680.0173-0.0369-0.3308-0.07520.10950.06010.133-0.01340.05180.2593-0.0990.2205-4.248264.2593298.1326
164.2093.52423.99883.96343.91144.3378-0.09450.2913-0.0663-0.02130.16640.0851-0.23840.0754-0.040.2673-0.0630.10740.3892-0.09970.3152-21.692862.7025291.3825
172.6723-0.73910.79410.9864-0.29080.7641-0.04660.1814-0.12710.0863-0.02820.17230.15490.07070.07970.2624-0.01870.08450.2139-0.05220.2326-3.155868.869290.4274
184.12680.58670.56182.2926-0.62413.6929-0.24020.5219-0.2742-0.42610.0226-0.23340.28590.48740.09550.26020.01810.1060.265-0.15870.2814-15.837259.4304276.6091
197.9076-3.03576.09092.7995-1.55245.04780.2075-0.280.1611-0.0515-0.2092-0.08240.4241-0.1533-0.19840.2498-0.09140.11820.25650.0130.3485-15.60740.0111298.118
203.5168-1.81913.73738.169-2.83225.91850.1288-0.2587-0.04040.6198-0.10870.53320.0335-0.7341-0.01030.2831-0.03170.14060.5211-0.01820.324-26.90335.8235300.5993
210.9444-1.7932-1.18894.75233.89085.5638-0.7108-0.024-0.2204-0.13960.17080.36840.04930.12590.48020.249-0.04470.04360.44020.13450.3898-64.893143.2217219.449
221.1480.6633-1.14970.597-0.53274.7770.05990.4397-0.2118-0.2258-0.01710.3890.534-0.01820.0550.4626-0.1419-0.05690.305-0.04470.3336-53.775225.8657205.1194
231.41440.2986-0.41170.9191-0.96072.8254-0.0113-0.0439-0.11930.2576-0.10110.27960.349-0.12910.00310.31580.0178-0.0152-0.01150.2272-0.1615-48.155539.9862236.4791
241.66790.18920.36251.9964-0.47431.3557-0.05260.25280.2689-0.3240.0303-0.0856-0.28110.0707-0.04310.2556-0.0552-0.01240.30430.10990.2101-48.045455.8569217.8166
250.84720.4731-0.33141.57420.89051.2273-0.0260.2014-0.29740.41920.2185-0.25350.03360.01860.02990.1104-0.0103-0.00520.19560.19740.2308-48.028743.3856221.6227
264.233-2.3580.29463.3486-0.22314.8452-0.5111-0.1420.3650.09690.0347-0.5886-0.26540.3440.18720.208-0.0930.04070.31810.13730.3131-26.621635.8511228.7436
272.01270.12720.09280.0884-0.04680.02610.1020.184-0.2450.24810.05090.4152-0.11030.0752-0.10540.3344-0.03840.02840.19470.10380.1848-47.328344.6269233.538
283.4739-0.5648-0.39342.2241-0.03345.7669-0.26290.0385-0.2788-0.08180.33310.03740.36250.22460.00530.2010.00360.01520.14920.09250.2602-34.5527.7161233.8804
295.3065-3.22163.42624.8414-1.12013.89110.66740.134-0.3384-0.5418-0.6004-0.31430.39410.2966-0.08910.3510.0760.01640.48340.04980.3126-44.495729.9016202.3671
306.36891.60882.51473.33741.22684.0964-0.22391.6594-0.5705-1.0989-0.0392-0.0024-0.52680.95050.03840.58860.16540.07230.80890.02370.3829-26.557926.6269203.7584
312.094-0.19930.23442.2143-0.00330.2898-0.08590.0381-0.1341-0.08410.1710.4574-0.04270.0906-0.10770.28450.0241-0.00480.2737-0.07050.0963-69.395361.5053290.5143
320.8415-0.7584-0.16691.0242-0.04831.923-0.0966-0.1407-0.03670.13620.13860.1471-0.0770.1405-0.00630.2627-0.0150.04910.2236-0.06140.1201-63.245356.3602305.6099
332.38670.2328-1.18550.8689-0.18730.69290.08730.13510.44310.18240.0678-0.2030.08030.0829-0.17630.3740.0330.10560.294-0.08140.265-48.151455.8921285.2232
342.8313-0.1225-0.13270.7513-0.04420.54720.2048-0.13670.3114-0.23210.05660.10690.1267-0.1355-0.24610.27390.01350.0150.2296-0.01060.2096-62.816646.1406293.8993
355.42652.31180.38175.10291.2263.61050.030.17230.4157-0.35850.0127-0.06110.05270.1211-0.11590.21160.06340.05850.3044-0.06590.2476-52.183552.551275.9197
366.304-3.5662-4.4973.94022.94973.29360.0148-0.12220.1497-0.1515-0.1348-0.4046-0.2573-0.0909-0.07840.4109-0.0567-0.05730.29180.00610.1882-52.929377.0113290.7836
375.7398-4.88961.71837.31191.36844.3599-0.1295-0.4480.92490.93390.20830.0724-0.49170.6077-0.18160.4363-0.14040.17780.4025-0.1910.7459-41.974682.4513291.7927
384.0531-1.5057-2.08723.64292.85962.6573-0.0852-0.41590.57420.5730.4053-0.84380.31180.4833-0.35060.33030.0633-0.11510.33990.02720.282720.548250.9303232.8285
392.1591-0.19760.95594.831-0.7491.61090.3305-0.1279-0.8610.28310.106-0.41770.1655-0.1288-0.39040.21430.04360.10270.39630.0207-0.018610.39926.9589222.1241
403.41782.7576-1.58296.764-1.54033.18030.1799-0.26910.3334-0.06770.06680.2365-0.273-0.0131-0.23750.1828-0.0444-0.04720.2325-0.01980.12018.324149.6845206.136
411.80580.25230.37180.95480.84392.65360.36240.1506-0.1165-0.11090.153-0.51040.2866-0.0777-0.0347-0.00250.0638-0.11060.3860.02130.295516.590543.3998225.3745
422.26990.0235-1.62850.918-1.69894.00210.08150.01850.02250.09390.19750.2170.0625-0.6037-0.40970.2597-0.0110.02930.27270.07520.2772-6.03536.3302220.8751
431.25431.1510.03111.50310.36961.1794-0.0790.00150.38380.04660.1426-0.3187-0.0372-0.0189-0.16830.18640.0207-0.02750.3586-0.02660.415212.399232.1382216.1502
445.9070.662-0.24736.2078-0.61383.48-0.3762-0.2159-0.7812-0.47420.3252-0.48250.0538-0.3453-0.0280.3514-0.08360.07780.25440.1130.251-2.018624.2589223.7286
455.1144-2.36261.02195.57221.48452.2087-0.245-0.7743-0.11750.6510.2582-0.49880.6385-0.6493-0.05560.33010.01210.01260.46560.13970.35940.902221.4743233.3418
463.1309-2.0652-0.87893.4310.00560.7028-0.5604-0.92480.13341.24090.5043-0.0728-0.20430.14410.21020.4303-0.0439-0.04530.6331-0.09620.2087-1.402531.2106239.3963
476.79126.6343-2.25596.7193-2.0491.97510.10730.46360.18520.5340.24910.237-0.00280.018-0.35330.3790.14120.06860.3438-0.01330.3119-1.176354.6861237.7128
485.0756.08722.65099.01533.56592.56690.1108-0.4951.2973-0.31410.11521.1266-0.6261-0.2711-0.03520.4772-0.01850.24350.5008-0.12790.7849-12.407658.535240.9274
490.1327-0.1542-0.14680.30330.07430.20930.0010.4883-0.055-0.15830.2353-0.0183-0.18310.6460.03230.3914-0.3014-0.61870.4854-0.06150.3431-17.90738.6195217.0447
505.9023-0.7598-2.81322.2067-0.51883.9121-0.45690.3556-1.3221-0.0456-0.30880.01540.7148-0.18330.39590.0104-0.27240.14470.387-0.03690.6208-12.43896.457227.23
510.1267-0.0353-0.10940.1108-0.04210.1442-0.1788-0.21030.29950.26670.2104-0.1053-0.0997-0.0620.29120.14330.5844-0.1210.51370.18350.406-33.26879.6164269.9919
520.05350.0537-0.13710.2951-0.03740.3757-0.22550.22490.2075-0.0129-0.01090.0196-0.37250.16470.41960.11820.2337-0.43330.6449-0.0579-0.0478-27.764971.6221262.4201
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 8 through 100 )A8 - 100
2X-RAY DIFFRACTION2chain 'A' and (resid 101 through 242 )A101 - 242
3X-RAY DIFFRACTION3chain 'A' and (resid 243 through 328 )A243 - 328
4X-RAY DIFFRACTION4chain 'A' and (resid 329 through 439 )A329 - 439
5X-RAY DIFFRACTION5chain 'A' and (resid 440 through 491 )A440 - 491
6X-RAY DIFFRACTION6chain 'B' and (resid 8 through 61 )B8 - 61
7X-RAY DIFFRACTION7chain 'B' and (resid 62 through 155 )B62 - 155
8X-RAY DIFFRACTION8chain 'B' and (resid 156 through 191 )B156 - 191
9X-RAY DIFFRACTION9chain 'B' and (resid 192 through 242 )B192 - 242
10X-RAY DIFFRACTION10chain 'B' and (resid 243 through 307 )B243 - 307
11X-RAY DIFFRACTION11chain 'B' and (resid 308 through 388 )B308 - 388
12X-RAY DIFFRACTION12chain 'B' and (resid 389 through 454 )B389 - 454
13X-RAY DIFFRACTION13chain 'B' and (resid 455 through 491 )B455 - 491
14X-RAY DIFFRACTION14chain 'C' and (resid 8 through 61 )C8 - 61
15X-RAY DIFFRACTION15chain 'C' and (resid 62 through 191 )C62 - 191
16X-RAY DIFFRACTION16chain 'C' and (resid 192 through 242 )C192 - 242
17X-RAY DIFFRACTION17chain 'C' and (resid 243 through 305 )C243 - 305
18X-RAY DIFFRACTION18chain 'C' and (resid 306 through 395 )C306 - 395
19X-RAY DIFFRACTION19chain 'C' and (resid 396 through 440 )C396 - 440
20X-RAY DIFFRACTION20chain 'C' and (resid 441 through 491 )C441 - 491
21X-RAY DIFFRACTION21chain 'D' and (resid 8 through 31 )D8 - 31
22X-RAY DIFFRACTION22chain 'D' and (resid 32 through 61 )D32 - 61
23X-RAY DIFFRACTION23chain 'D' and (resid 62 through 100 )D62 - 100
24X-RAY DIFFRACTION24chain 'D' and (resid 101 through 174 )D101 - 174
25X-RAY DIFFRACTION25chain 'D' and (resid 175 through 210 )D175 - 210
26X-RAY DIFFRACTION26chain 'D' and (resid 211 through 242 )D211 - 242
27X-RAY DIFFRACTION27chain 'D' and (resid 243 through 328 )D243 - 328
28X-RAY DIFFRACTION28chain 'D' and (resid 329 through 410 )D329 - 410
29X-RAY DIFFRACTION29chain 'D' and (resid 411 through 439 )D411 - 439
30X-RAY DIFFRACTION30chain 'D' and (resid 440 through 491 )D440 - 491
31X-RAY DIFFRACTION31chain 'E' and (resid 8 through 100 )E8 - 100
32X-RAY DIFFRACTION32chain 'E' and (resid 101 through 211 )E101 - 211
33X-RAY DIFFRACTION33chain 'E' and (resid 212 through 254 )E212 - 254
34X-RAY DIFFRACTION34chain 'E' and (resid 255 through 328 )E255 - 328
35X-RAY DIFFRACTION35chain 'E' and (resid 329 through 395 )E329 - 395
36X-RAY DIFFRACTION36chain 'E' and (resid 396 through 441 )E396 - 441
37X-RAY DIFFRACTION37chain 'E' and (resid 442 through 492 )E442 - 492
38X-RAY DIFFRACTION38chain 'F' and (resid 8 through 61 )F8 - 61
39X-RAY DIFFRACTION39chain 'F' and (resid 62 through 100 )F62 - 100
40X-RAY DIFFRACTION40chain 'F' and (resid 101 through 155 )F101 - 155
41X-RAY DIFFRACTION41chain 'F' and (resid 156 through 191 )F156 - 191
42X-RAY DIFFRACTION42chain 'F' and (resid 192 through 242 )F192 - 242
43X-RAY DIFFRACTION43chain 'F' and (resid 243 through 305 )F243 - 305
44X-RAY DIFFRACTION44chain 'F' and (resid 306 through 344 )F306 - 344
45X-RAY DIFFRACTION45chain 'F' and (resid 345 through 368 )F345 - 368
46X-RAY DIFFRACTION46chain 'F' and (resid 369 through 401 )F369 - 401
47X-RAY DIFFRACTION47chain 'F' and (resid 402 through 454 )F402 - 454
48X-RAY DIFFRACTION48chain 'F' and (resid 455 through 492 )F455 - 492
49X-RAY DIFFRACTION49chain 'G' and (resid 22 through 41 )G22 - 41
50X-RAY DIFFRACTION50chain 'G' and (resid 42 through 56 )G42 - 56
51X-RAY DIFFRACTION51chain 'H' and (resid 22 through 41 )H22 - 41
52X-RAY DIFFRACTION52chain 'H' and (resid 42 through 56 )H42 - 56

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